SCHEMBL5024896

SCHEMBL5024896

N#Cc1cc(F)c(N2CCCCCC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PARP1 P09874 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
SLC6A9 P48067 1/20 0.38
HTR7 P34969 1/20 0.38
AR P10275 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30462894 0.84 HRH3 (0.52) HRH3
SCHEMBL8295827 0.83 ALDH1A1 (0.50) PARP1KDM4ETP53ALDH1A1SMN1; SMN2
SCHEMBL14922714 0.81 ALDH1A1 (0.43) PARP1KDM4ETP53HTR7ALDH1A1
SCHEMBL4705397 0.77 LRRK2 (0.40) KDM4ETP53HTR7ARALDH1A1
SCHEMBL15117102 0.77 SLC6A9 (0.57) CYP11B1CYP11B2SLC6A9ARALDH1A1
SCHEMBL9832077 0.74 RAB9A (0.46) KDM4ETP53ALDH1A1SMN1; SMN2MAPT
SCHEMBL5659927 0.74 USP30 (0.39) SLC6A9HSD17B10HRH3
SCHEMBL18876504 0.74 MAPK1 (0.40) ALDH1A1SMN1; SMN2MAPTHTTGAA
SCHEMBL238377 0.74 ALDH1A1 (0.43) KDM4ETP53ALDH1A1SMN1; SMN2MAPT
SCHEMBL18876467 0.74 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTHTTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660455-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-15 EP disclosed
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 CYP11B1 1319/4885CYP11B2 2139/4885PARP1 2016/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 CYP11B1 1448/4885CYP11B2 2169/4885PARP1 2042/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.